N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide

C25H26N4O3S — CID 59577464

IUPACN-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CCc1coc2cc(Oc3nc4ncccc4s3)ccc12
InChIInChI=1S/C25H26N4O3S/c1-15(30)27-17-11-18-4-5-19(12-17)29(18)10-8-16-14-31-22-13-20(6-7-21(16)22)32-25-28-24-23(33-25)3-2-9-26-24/h2-3,6-7,9,13-14,17-19H,4-5,8,10-12H2,1H3,(H,27,30)/t17?,18-,19+
InChIKeyOFKVCBQUYDJSQV-YQQQUEKLSA-N
MW462.58 g/mol
LogP4.90
Rot. Bonds6

About N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide

N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 59577464) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID59577464
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CCc1coc2cc(Oc3nc4ncccc4s3)ccc12
InChIInChI=1S/C25H26N4O3S/c1-15(30)27-17-11-18-4-5-19(12-17)29(18)10-8-16-14-31-22-13-20(6-7-21(16)22)32-25-28-24-23(33-25)3-2-9-26-24/h2-3,6-7,9,13-14,17-19H,4-5,8,10-12H2,1H3,(H,27,30)/t17?,18-,19+
InChIKeyOFKVCBQUYDJSQV-YQQQUEKLSA-N
XLogP4.90
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The IUPAC name of N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide (CID 59577464) is N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide.
What is the SMILES notation for N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The canonical SMILES for N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide is CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CCc1coc2cc(Oc3nc4ncccc4s3)ccc12.
What is the InChIKey of N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is OFKVCBQUYDJSQV-YQQQUEKLSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-15(30)27-17-11-18-4-5-19(12-17)29(18)10-8-16-14-31-22-13-20(6-7-21(16)22)32-25-28-24-23(33-25)3-2-9-26-24/h2-3,6-7,9,13-14,17-19H,4-5,8,10-12H2,1H3,(H,27,30)/t17?,18-,19+.
What are the key properties of N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 462.58 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 59577464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).